4-chloro-7-(ethylamino)chromen-2-one

C11H10ClNO2 — CID 653949

IUPAC4-chloro-7-(ethylamino)chromen-2-one
SMILESCCNc1ccc2c(Cl)cc(=O)oc2c1
InChIInChI=1S/C11H10ClNO2/c1-2-13-7-3-4-8-9(12)6-11(14)15-10(8)5-7/h3-6,13H,2H2,1H3
InChIKeyOHVFDYQBAHVHMB-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.88
Rot. Bonds2

About 4-chloro-7-(ethylamino)chromen-2-one

4-chloro-7-(ethylamino)chromen-2-one (PubChem CID 653949) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-7-(ethylamino)chromen-2-one.

Molecular Properties

Compound Name4-chloro-7-(ethylamino)chromen-2-one
PubChem CID653949
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name4-chloro-7-(ethylamino)chromen-2-one
SMILESCCNc1ccc2c(Cl)cc(=O)oc2c1
InChIInChI=1S/C11H10ClNO2/c1-2-13-7-3-4-8-9(12)6-11(14)15-10(8)5-7/h3-6,13H,2H2,1H3
InChIKeyOHVFDYQBAHVHMB-UHFFFAOYSA-N
XLogP2.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-7-diethylaminocoumarin
CID 7050
7-Amino-4-methylcoumarin
CID 92249
Damc
CID 6867
7-Diethylaminocoumarin
CID 88598
2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-
CID 688763
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
6,7,8,9-Tetrahydro-4-(trifluoromethyl)-2H-pyrano(3,2-g)quinolin-2-one
CID 100790
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
CID 120014
7-(Diethylamino)-4-hydroxy-2H-1-benzopyran-2-one
CID 54680650
7-Diethylaminocoumarin-3-carboxylic acid
CID 659294
7-(Diethylamino)coumarin-3-carbonitrile
CID 688937
7-(Ethylamino)-6-methyl-4-(trifluoromethyl)coumarin
CID 72817

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(ethylamino)chromen-2-one?
The IUPAC name of 4-chloro-7-(ethylamino)chromen-2-one (CID 653949) is 4-chloro-7-(ethylamino)chromen-2-one.
What is the SMILES notation for 4-chloro-7-(ethylamino)chromen-2-one?
The canonical SMILES for 4-chloro-7-(ethylamino)chromen-2-one is CCNc1ccc2c(Cl)cc(=O)oc2c1.
What is the InChIKey of 4-chloro-7-(ethylamino)chromen-2-one?
The InChIKey is OHVFDYQBAHVHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-13-7-3-4-8-9(12)6-11(14)15-10(8)5-7/h3-6,13H,2H2,1H3.
What are the key properties of 4-chloro-7-(ethylamino)chromen-2-one?
4-chloro-7-(ethylamino)chromen-2-one has a molecular weight of 223.66 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(ethylamino)chromen-2-one is sourced from PubChem (CID 653949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).